COMPND HMDB0014639 HETATM 1 N1 UNL 1 -2.461 -3.136 1.574 1.00 0.00 N HETATM 2 C1 UNL 1 -2.604 -1.750 1.799 1.00 0.00 C HETATM 3 O1 UNL 1 -2.982 -1.329 2.905 1.00 0.00 O HETATM 4 C2 UNL 1 -2.298 -0.790 0.697 1.00 0.00 C HETATM 5 C3 UNL 1 -2.477 0.625 1.091 1.00 0.00 C HETATM 6 C4 UNL 1 -3.066 1.549 0.220 1.00 0.00 C HETATM 7 C5 UNL 1 -3.244 2.870 0.508 1.00 0.00 C HETATM 8 C6 UNL 1 -2.830 3.352 1.724 1.00 0.00 C HETATM 9 C7 UNL 1 -2.248 2.486 2.612 1.00 0.00 C HETATM 10 C8 UNL 1 -2.077 1.155 2.302 1.00 0.00 C HETATM 11 C9 UNL 1 -3.419 -1.052 -0.292 1.00 0.00 C HETATM 12 C10 UNL 1 -4.695 -0.763 0.195 1.00 0.00 C HETATM 13 C11 UNL 1 -5.808 -0.967 -0.600 1.00 0.00 C HETATM 14 C12 UNL 1 -5.591 -1.460 -1.869 1.00 0.00 C HETATM 15 C13 UNL 1 -4.332 -1.746 -2.353 1.00 0.00 C HETATM 16 C14 UNL 1 -3.217 -1.538 -1.545 1.00 0.00 C HETATM 17 C15 UNL 1 -0.970 -1.090 0.079 1.00 0.00 C HETATM 18 C16 UNL 1 0.182 -1.032 1.061 1.00 0.00 C HETATM 19 C17 UNL 1 0.913 0.249 0.814 1.00 0.00 C HETATM 20 N2 UNL 1 0.264 0.893 -0.271 1.00 0.00 N HETATM 21 C18 UNL 1 0.966 1.792 -1.067 1.00 0.00 C HETATM 22 C19 UNL 1 2.007 1.358 -2.011 1.00 0.00 C HETATM 23 C20 UNL 1 3.158 0.614 -1.488 1.00 0.00 C HETATM 24 C21 UNL 1 3.177 -0.757 -1.556 1.00 0.00 C HETATM 25 C22 UNL 1 4.218 -1.513 -1.082 1.00 0.00 C HETATM 26 C23 UNL 1 5.311 -0.901 -0.504 1.00 0.00 C HETATM 27 C24 UNL 1 5.323 0.462 -0.421 1.00 0.00 C HETATM 28 C25 UNL 1 4.269 1.214 -0.903 1.00 0.00 C HETATM 29 C26 UNL 1 6.622 0.821 0.250 1.00 0.00 C HETATM 30 C27 UNL 1 7.470 -0.429 0.127 1.00 0.00 C HETATM 31 O2 UNL 1 6.482 -1.440 0.046 1.00 0.00 O HETATM 32 C28 UNL 1 -0.515 -0.106 -0.964 1.00 0.00 C HETATM 33 H1 UNL 1 -2.931 -3.865 2.182 1.00 0.00 H HETATM 34 H2 UNL 1 -1.885 -3.546 0.796 1.00 0.00 H HETATM 35 H3 UNL 1 -3.406 1.181 -0.727 1.00 0.00 H HETATM 36 H4 UNL 1 -3.711 3.556 -0.209 1.00 0.00 H HETATM 37 H5 UNL 1 -2.988 4.401 1.918 1.00 0.00 H HETATM 38 H6 UNL 1 -1.926 2.871 3.568 1.00 0.00 H HETATM 39 H7 UNL 1 -1.609 0.514 3.037 1.00 0.00 H HETATM 40 H8 UNL 1 -4.852 -0.380 1.189 1.00 0.00 H HETATM 41 H9 UNL 1 -6.811 -0.741 -0.219 1.00 0.00 H HETATM 42 H10 UNL 1 -6.465 -1.624 -2.503 1.00 0.00 H HETATM 43 H11 UNL 1 -4.145 -2.135 -3.348 1.00 0.00 H HETATM 44 H12 UNL 1 -2.219 -1.752 -1.892 1.00 0.00 H HETATM 45 H13 UNL 1 -0.982 -2.130 -0.347 1.00 0.00 H HETATM 46 H14 UNL 1 0.850 -1.932 0.905 1.00 0.00 H HETATM 47 H15 UNL 1 -0.140 -1.117 2.110 1.00 0.00 H HETATM 48 H16 UNL 1 0.704 0.904 1.724 1.00 0.00 H HETATM 49 H17 UNL 1 1.997 0.182 0.794 1.00 0.00 H HETATM 50 H18 UNL 1 1.378 2.601 -0.405 1.00 0.00 H HETATM 51 H19 UNL 1 0.194 2.359 -1.685 1.00 0.00 H HETATM 52 H20 UNL 1 1.574 0.876 -2.927 1.00 0.00 H HETATM 53 H21 UNL 1 2.457 2.315 -2.442 1.00 0.00 H HETATM 54 H22 UNL 1 2.339 -1.261 -2.002 1.00 0.00 H HETATM 55 H23 UNL 1 4.209 -2.612 -1.150 1.00 0.00 H HETATM 56 H24 UNL 1 4.303 2.288 -0.823 1.00 0.00 H HETATM 57 H25 UNL 1 6.461 1.009 1.334 1.00 0.00 H HETATM 58 H26 UNL 1 7.137 1.639 -0.247 1.00 0.00 H HETATM 59 H27 UNL 1 8.148 -0.567 0.992 1.00 0.00 H HETATM 60 H28 UNL 1 8.083 -0.449 -0.783 1.00 0.00 H HETATM 61 H29 UNL 1 -1.344 0.409 -1.463 1.00 0.00 H HETATM 62 H30 UNL 1 0.054 -0.637 -1.749 1.00 0.00 H CONECT 1 2 33 34 CONECT 2 3 3 4 CONECT 4 5 11 17 CONECT 5 6 6 10 CONECT 6 7 35 CONECT 7 8 8 36 CONECT 8 9 37 CONECT 9 10 10 38 CONECT 10 39 CONECT 11 12 12 16 CONECT 12 13 40 CONECT 13 14 14 41 CONECT 14 15 42 CONECT 15 16 16 43 CONECT 16 44 CONECT 17 18 32 45 CONECT 18 19 46 47 CONECT 19 20 48 49 CONECT 20 21 32 CONECT 21 22 50 51 CONECT 22 23 52 53 CONECT 23 24 24 28 CONECT 24 25 54 CONECT 25 26 26 55 CONECT 26 27 31 CONECT 27 28 28 29 CONECT 28 56 CONECT 29 30 57 58 CONECT 30 31 59 60 CONECT 32 61 62 END